CID 84701377

Tert-butyl n-{6-oxospiro[2.5]octan-1-yl}carbamate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC12CCC(=O)CC2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-10-8-13(10)6-4-9(15)5-7-13/h10H,4-8H2,1-3H3,(H,14,16)
InChIKey
KJKFDUASZGJGCD-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-oxospiro[2.5]octan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 155.8
[M+Na]+ 262.14137 162.7
[M-H]- 238.14487 161.8
[M+NH4]+ 257.18597 170.8
[M+K]+ 278.11531 161.1
[M+H-H2O]+ 222.14941 151.1
[M+HCOO]- 284.15035 174.1
[M+CH3COO]- 298.16600 195.3
[M+Na-2H]- 260.12682 160.6
[M]+ 239.15160 156.7
[M]- 239.15270 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.